1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide

C12H19N3OS — CID 115443706

IUPAC1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)Nc2nccs2)CCCCCC1
InChIInChI=1S/C12H19N3OS/c13-9-12(5-3-1-2-4-6-12)10(16)15-11-14-7-8-17-11/h7-8H,1-6,9,13H2,(H,14,15,16)
InChIKeyMEGZQYPNPKOCKW-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.38
Rot. Bonds3

About 1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide

1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide (PubChem CID 115443706) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide
PubChem CID115443706
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)Nc2nccs2)CCCCCC1
InChIInChI=1S/C12H19N3OS/c13-9-12(5-3-1-2-4-6-12)10(16)15-11-14-7-8-17-11/h7-8H,1-6,9,13H2,(H,14,15,16)
InChIKeyMEGZQYPNPKOCKW-UHFFFAOYSA-N
XLogP2.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-N-(1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 110906941
1-[(1,3-thiazol-2-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309764
3-ethyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140720
1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 115437914
(3S)-3-methyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 129369013
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide
CID 115435197
1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 115437795
4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 114041967
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine
CID 103970472
1-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclopentane-1-carboxamide
CID 81489454
1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide
CID 115435354
4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 168719847

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide (CID 115443706) is 1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide is NCC1(C(=O)Nc2nccs2)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide?
The InChIKey is MEGZQYPNPKOCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-9-12(5-3-1-2-4-6-12)10(16)15-11-14-7-8-17-11/h7-8H,1-6,9,13H2,(H,14,15,16).
What are the key properties of 1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide?
1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide is sourced from PubChem (CID 115443706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).